Nl9-c2a

Structural Information

Molecular Formula

C₆₄H₈₈N₁₆O₁₄

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](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](C)NC(=O)[C@H](C)N

InChI

InChI=1S/C64H88N16O14/c1-6-34(2)54(64(94)76-45(22-14-15-27-65)59(89)74-46(23-25-51(67)81)60(90)75-47(24-26-53(83)84)61(91)77-48(55(68)85)28-38-16-8-7-9-17-38)80-52(82)33-71-57(87)36(4)73-62(92)49(29-39-31-69-43-20-12-10-18-41(39)43)79-63(93)50(78-58(88)37(5)72-56(86)35(3)66)30-40-32-70-44-21-13-11-19-42(40)44/h7-13,16-21,31-32,34-37,45-50,54,69-70H,6,14-15,22-30,33,65-66H2,1-5H3,(H2,67,81)(H2,68,85)(H,71,87)(H,72,86)(H,73,92)(H,74,89)(H,75,90)(H,76,94)(H,77,91)(H,78,88)(H,79,93)(H,80,82)(H,83,84)/t34?,35-,36-,37-,45-,46-,47-,48-,49-,50-,54-/m0/s1

InChIKey

XJASTFHKSQXSRZ-FIKPKQIJSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]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-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186546