Nl9-q9a

Structural Information

Molecular Formula

C₆₂H₈₅N₁₅O₁₃S

SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)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/C62H85N15O13S/c1-6-33(2)52(62(90)72-44(22-14-15-25-63)57(85)70-36(5)56(84)71-45(23-24-51(79)80)58(86)73-46(53(65)81)26-37-16-8-7-9-17-37)77-50(78)31-68-55(83)35(4)69-59(87)47(27-38-29-66-42-20-12-10-18-40(38)42)74-60(88)48(28-39-30-67-43-21-13-11-19-41(39)43)75-61(89)49(32-91)76-54(82)34(3)64/h7-13,16-21,29-30,33-36,44-49,52,66-67,91H,6,14-15,22-28,31-32,63-64H2,1-5H3,(H2,65,81)(H,68,83)(H,69,87)(H,70,85)(H,71,84)(H,72,90)(H,73,86)(H,74,88)(H,75,89)(H,76,82)(H,77,78)(H,79,80)/t33?,34-,35-,36-,44-,45-,46-,47-,48-,49-,52-/m0/s1

InChIKey

XSQIZIUBVRRYLN-LGGQSRMDSA-N

Compound name

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

Related CIDs

• CID 16074149