(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[2-[2-[2-[2-[2-[[(2s)-1-[(2s)-5-amino-2-[[(2s,3s)-2-[[(2s,3r)-2-[[(2s)-2-[[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Structural Information

Molecular Formula

C₇₃H₁₁₁N₁₅O₂₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)NC(=O)COCCOCCOCCOCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C73H111N15O23/c1-9-41(6)60(85-71(104)62(43(8)91)86-66(99)51(31-40(4)5)80-63(96)47(74)33-45-35-77-48-19-14-13-18-46(45)48)69(102)79-49(21-22-56(75)92)72(105)88-23-15-20-55(88)68(101)84-59(95)38-111-29-27-109-25-24-108-26-28-110-37-58(94)78-54(36-89)67(100)87-61(42(7)90)70(103)82-50(30-39(2)3)64(97)81-52(34-57(76)93)65(98)83-53(73(106)107)32-44-16-11-10-12-17-44/h10-14,16-19,35,39-43,47,49-55,60-62,77,89-91H,9,15,20-34,36-38,74H2,1-8H3,(H2,75,92)(H2,76,93)(H,78,94)(H,79,102)(H,80,96)(H,81,97)(H,82,103)(H,83,98)(H,85,104)(H,86,99)(H,87,100)(H,106,107)(H,84,95,101)/t41-,42+,43+,47-,49-,50-,51-,52-,53-,54-,55-,60-,61-,62-/m0/s1

InChIKey

ONTYEEZRFFBTCA-XIOCTAFGSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[2-[2-[2-[2-[[(2S)-1-[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 471178