Nl-9

Structural Information

Molecular Formula

C₆₄H₈₈N₁₆O₁₄S

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](CS)NC(=O)[C@H](C)N

InChI

InChI=1S/C64H88N16O14S/c1-5-34(2)54(64(94)75-44(21-13-14-26-65)58(88)73-45(22-24-51(67)81)59(89)74-46(23-25-53(83)84)60(90)76-47(55(68)85)27-37-15-7-6-8-16-37)80-52(82)32-71-57(87)36(4)72-61(91)48(28-38-30-69-42-19-11-9-17-40(38)42)77-62(92)49(29-39-31-70-43-20-12-10-18-41(39)43)78-63(93)50(33-95)79-56(86)35(3)66/h6-12,15-20,30-31,34-36,44-50,54,69-70,95H,5,13-14,21-29,32-33,65-66H2,1-4H3,(H2,67,81)(H2,68,85)(H,71,87)(H,72,91)(H,73,88)(H,74,89)(H,75,94)(H,76,90)(H,77,92)(H,78,93)(H,79,86)(H,80,82)(H,83,84)/t34?,35-,36-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1

InChIKey

XKYMZQTXPYJTEU-ARPRNZSHSA-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-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186545
• CID 16186552