Nl9-4

Structural Information

Molecular Formula

C₆₄H₈₈N₁₈O₁₄S

SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)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/C64H88N18O14S/c1-5-33(2)53(63(96)77-43(20-13-25-70-64(68)69)57(90)75-44(21-23-50(66)83)58(91)76-45(22-24-52(85)86)59(92)78-46(54(67)87)26-36-14-7-6-8-15-36)82-51(84)31-73-56(89)35(4)74-60(93)47(27-37-29-71-41-18-11-9-16-39(37)41)79-61(94)48(28-38-30-72-42-19-12-10-17-40(38)42)80-62(95)49(32-97)81-55(88)34(3)65/h6-12,14-19,29-30,33-35,43-49,53,71-72,97H,5,13,20-28,31-32,65H2,1-4H3,(H2,66,83)(H2,67,87)(H,73,89)(H,74,93)(H,75,90)(H,76,91)(H,77,96)(H,78,92)(H,79,94)(H,80,95)(H,81,88)(H,82,84)(H,85,86)(H4,68,69,70)/t33?,34-,35-,43-,44-,45-,46-,47-,48-,49-,53-/m0/s1

InChIKey

ABIHKEXQTIHTSQ-MZHDHJDWSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-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]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 25084609