SOMATOTROPIN RELEASING HORMONE (1-45), 27-LEU-45-GLY-

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key IVGWQGJDNNGQTP-FWWAFOOOSA-N
Smiles CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(O)=O
InChI
InChI=1S/C218H362N72O68/c1-25-108(17)169(288-176(322)114(23)254-195(341)147(91-165(312)313)271-175(321)111(20)252-177(323)121(221)86-117-50-54-119(296)55-51-117)210(356)281-144(87-116-40-28-27-29-41-116)203(349)290-171(115(24)295)212(358)282-146(90-159(228)304)202(348)286-152(100-294)207(353)276-143(88-118-52-56-120(297)57-53-118)200(346)264-128(48-38-78-245-217(237)238)184(330)263-124(43-31-33-73-220)194(340)287-168(107(15)16)209(355)279-138(81-102(5)6)180(326)249-95-162(307)256-131(59-66-154(223)299)188(334)274-141(84-105(11)12)198(344)284-149(97-291)205(351)255-113(22)174(320)259-126(46-36-76-243-215(233)234)183(329)262-123(42-30-32-72-219)186(332)273-140(83-104(9)10)197(343)275-139(82-103(7)8)196(342)269-135(62-69-157(226)302)193(339)278-148(92-166(314)315)204(350)289-170(109(18)26-2)211(357)280-142(85-106(13)14)199(345)285-150(98-292)206(352)265-129(49-39-79-246-218(239)240)185(331)267-133(60-67-155(224)300)190(336)266-130(58-65-153(222)298)179(325)248-94-161(306)257-132(63-70-163(308)309)189(335)283-151(99-293)208(354)277-145(89-158(227)303)201(347)270-134(61-68-156(225)301)191(337)268-136(64-71-164(310)311)192(338)261-122(44-34-74-241-213(229)230)178(324)247-93-160(305)251-110(19)172(318)258-125(45-35-75-242-214(231)232)182(328)253-112(21)173(319)260-127(47-37-77-244-216(235)236)187(333)272-137(80-101(3)4)181(327)250-96-167(316)317/h27-29,40-41,50-57,101-115,121-152,168-171,291-297H,25-26,30-39,42-49,58-100,219-221H2,1-24H3,(H2,222,298)(H2,223,299)(H2,224,300)(H2,225,301)(H2,226,302)(H2,227,303)(H2,228,304)(H,247,324)(H,248,325)(H,249,326)(H,250,327)(H,251,305)(H,252,323)(H,253,328)(H,254,341)(H,255,351)(H,256,307)(H,257,306)(H,258,318)(H,259,320)(H,260,319)(H,261,338)(H,262,329)(H,263,330)(H,264,346)(H,265,352)(H,266,336)(H,267,331)(H,268,337)(H,269,342)(H,270,347)(H,271,321)(H,272,333)(H,273,332)(H,274,334)(H,275,343)(H,276,353)(H,277,354)(H,278,339)(H,279,355)(H,280,357)(H,281,356)(H,282,358)(H,283,335)(H,284,344)(H,285,345)(H,286,348)(H,287,340)(H,288,322)(H,289,350)(H,290,349)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H4,229,230,241)(H4,231,232,242)(H4,233,234,243)(H4,235,236,244)(H4,237,238,245)(H4,239,240,246)/t108-,109-,110-,111-,112-,113-,114-,115+,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,168-,169-,170-,171-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C218H362N72O68
Molecular Weight 5076.71
AlogP 15.79
Hydrogen Bond Acceptor 72.0
Hydrogen Bond Donor 91.0
Number of Rotational Bond 178.0
Polar Surface Area 2520.09
Heavy Atoms 358.0

Cross References

Resources Reference
CAS NUMBER 105953-59-1
NORMAN SUSDAT
CONTENTS