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Substance Name: 1-34-Gastrin I (pig), 4-l-proline-14-l-proline-15-l-serine-22-l-leucine-
RN: 60675-77-6
InChIKey: DKONFPYEAKZHHO-JCVYGFDXSA-N

Molecular Formula

  • C176-H251-N43-O53-S

Molecular Weight

  • 3849.2329
 
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Names and Synonyms

Synonym

  • EINECS 262-369-6

Systematic Name

  • 1-34-Gastrin I (pig), 4-l-proline-14-l-proline-15-l-serine-22-l-leucine-

Registry Numbers

CAS Registry Number

  • 60675-77-6

System Generated Number

  • 0060675776

Structure Descriptors

InChI

1S/C176H251N43O53S/c1-89(2)70-117(206-157(253)109-47-55-134(224)192-109)152(248)188-85-137(227)215-64-23-36-127(215)170(266)203-108(46-54-133(180)223)151(247)187-86-138(228)217-66-27-40-131(217)176(272)219-68-26-39-130(219)172(268)211-123(77-99-82-182-88-189-99)166(262)208-119(72-91(5)6)168(264)214-146(92(7)8)174(270)191-94(10)149(245)212-125(79-145(241)242)175(271)218-67-25-38-129(218)173(269)213-126(87-220)169(265)195-106(35-20-22-63-178)155(251)194-105(34-19-21-62-177)156(252)196-107(45-53-132(179)222)150(246)186-84-136(226)216-65-24-37-128(216)171(267)210-122(76-98-81-184-104-33-18-16-31-102(98)104)165(261)207-118(71-90(3)4)163(259)201-114(52-60-143(237)238)161(257)200-113(51-59-142(235)236)160(256)199-112(50-58-141(233)234)159(255)198-111(49-57-140(231)232)158(254)197-110(48-56-139(229)230)154(250)190-93(9)148(244)205-120(74-96-41-43-100(221)44-42-96)153(249)185-83-135(225)193-121(75-97-80-183-103-32-17-15-30-101(97)103)164(260)202-115(61-69-273-11)162(258)209-124(78-144(239)240)167(263)204-116(147(181)243)73-95-28-13-12-14-29-95/h12-18,28-33,41-44,80-82,88-94,105-131,146,183-184,220-221H,19-27,34-40,45-79,83-87,177-178H2,1-11H3,(H2,179,222)(H2,180,223)(H2,181,243)(H,182,189)(H,185,249)(H,186,246)(H,187,247)(H,188,248)(H,190,250)(H,191,270)(H,192,224)(H,193,225)(H,194,251)(H,195,265)(H,196,252)(H,197,254)(H,198,255)(H,199,256)(H,200,257)(H,201,259)(H,202,260)(H,203,266)(H,204,263)(H,205,244)(H,206,253)(H,207,261)(H,208,262)(H,209,258)(H,210,267)(H,211,268)(H,212,245)(H,213,269)(H,214,264)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)/t93-,94-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,146-/m0/s1

InChIKey

DKONFPYEAKZHHO-JCVYGFDXSA-N

Smiles

C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@@H]7CCCN7C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc9cnc[nH]9)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1