Nh2-ala-cys-ala-trp-ala-gly-ile-lys-gln-glu-phe-nh2

Structural Information

Molecular Formula

C₅₆H₈₃N₁₅O₁₄S

SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)N

InChI

InChI=1S/C56H83N15O14S/c1-6-29(2)46(56(85)67-37(18-12-13-23-57)51(80)65-38(19-21-43(59)72)52(81)66-39(20-22-45(74)75)53(82)68-40(47(60)76)24-33-14-8-7-9-15-33)71-44(73)27-62-49(78)31(4)63-54(83)41(25-34-26-61-36-17-11-10-16-35(34)36)69-50(79)32(5)64-55(84)42(28-86)70-48(77)30(3)58/h7-11,14-17,26,29-32,37-42,46,61,86H,6,12-13,18-25,27-28,57-58H2,1-5H3,(H2,59,72)(H2,60,76)(H,62,78)(H,63,83)(H,64,84)(H,65,80)(H,66,81)(H,67,85)(H,68,82)(H,69,79)(H,70,77)(H,71,73)(H,74,75)/t29?,30-,31-,32-,37-,38-,39-,40-,41-,42-,46-/m0/s1

InChIKey

DMHQHOOICWFMDU-DANROLAKSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16074147