(2s)-6-amino-2-[[2-[[2-[[(2r)-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-4-amino-2-[[2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2r)-2-[[(2s)-2-aminopropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]hexanoic acid

Structural Information

Molecular Formula

C₆₅H₈₇N₁₇O₁₆S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C65H87N17O16S2/c1-34(67)56(88)79-49(33-100)61(93)78-47(23-36-13-4-3-5-14-36)64(96)82-22-12-20-50(82)62(94)76-44(24-37-27-69-41-17-8-6-15-39(37)41)57(89)73-31-54(87)75-46(26-51(68)84)60(92)81-55(35(2)83)63(95)77-45(25-38-28-70-42-18-9-7-16-40(38)42)59(91)80-48(32-99)58(90)72-29-52(85)71-30-53(86)74-43(65(97)98)19-10-11-21-66/h3-9,13-18,27-28,34-35,43-50,55,69-70,83,99-100H,10-12,19-26,29-33,66-67H2,1-2H3,(H2,68,84)(H,71,85)(H,72,90)(H,73,89)(H,74,86)(H,75,87)(H,76,94)(H,77,95)(H,78,93)(H,79,88)(H,80,91)(H,81,92)(H,97,98)/t34-,35+,43-,44-,45-,46-,47-,48-,49-,50-,55-/m0/s1

InChIKey

ANIACVXOPQUOTO-SNWRRENISA-N

Compound name

(2S)-6-amino-2-[[2-[[2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]hexanoic acid

Related CIDs

• CID 16186165