Nl9-g6a

Structural Information

Molecular Formula

C₆₅H₉₀N₁₆O₁₄S

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)[C@H](C)NC(=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/C65H90N16O14S/c1-6-34(2)54(65(95)76-45(22-14-15-27-66)59(89)74-46(23-25-52(68)82)60(90)75-47(24-26-53(83)84)61(91)77-48(55(69)85)28-38-16-8-7-9-17-38)81-58(88)37(5)72-57(87)36(4)73-62(92)49(29-39-31-70-43-20-12-10-18-41(39)43)78-63(93)50(30-40-32-71-44-21-13-11-19-42(40)44)79-64(94)51(33-96)80-56(86)35(3)67/h7-13,16-21,31-32,34-37,45-51,54,70-71,96H,6,14-15,22-30,33,66-67H2,1-5H3,(H2,68,82)(H2,69,85)(H,72,87)(H,73,92)(H,74,89)(H,75,90)(H,76,95)(H,77,91)(H,78,93)(H,79,94)(H,80,86)(H,81,88)(H,83,84)/t34?,35-,36-,37-,45-,46-,47-,48-,49-,50-,51-,54-/m0/s1

InChIKey

DACCPBGMNZOTPI-FZHYWKJVSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-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]propanoyl]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 16186547