Nl9-f11a

Structural Information

Molecular Formula

C₅₈H₈₄N₁₆O₁₄S

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](C)C(=O)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CS)NC(=O)[C@H](C)N

InChI

InChI=1S/C58H84N16O14S/c1-6-29(2)48(58(88)70-39(17-11-12-22-59)53(83)68-40(18-20-45(61)75)54(84)69-41(19-21-47(77)78)52(82)66-31(4)49(62)79)74-46(76)27-65-51(81)32(5)67-55(85)42(23-33-25-63-37-15-9-7-13-35(33)37)71-56(86)43(24-34-26-64-38-16-10-8-14-36(34)38)72-57(87)44(28-89)73-50(80)30(3)60/h7-10,13-16,25-26,29-32,39-44,48,63-64,89H,6,11-12,17-24,27-28,59-60H2,1-5H3,(H2,61,75)(H2,62,79)(H,65,81)(H,66,82)(H,67,85)(H,68,83)(H,69,84)(H,70,88)(H,71,86)(H,72,87)(H,73,80)(H,74,76)(H,77,78)/t29?,30-,31-,32-,39-,40-,41-,42-,43-,44-,48-/m0/s1

InChIKey

VFPLTQRZUMCPNY-VOKGOSMESA-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]-3-(1H-indol-3-yl)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-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16074151