(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[13-[(2s)-2-[[(2s)-5-amino-1-[[(2s,3s)-1-[[(2s,3r)-1-[[(2s)-1-[[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-13-oxotridecanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Structural Information

Molecular Formula

C₇₆H₁₁₆N₁₄O₂₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)CCCCCCCCCCCC(=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](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C76H116N14O20/c1-9-44(6)63(72(104)89-65(46(8)93)74(106)84-53(36-43(4)5)68(100)86-56(76(109)110)38-48-40-79-50-28-23-22-27-49(48)50)87-66(98)51(32-33-59(77)94)81-71(103)58-29-24-34-90(58)62(97)31-21-16-14-12-10-11-13-15-20-30-61(96)80-57(41-91)70(102)88-64(45(7)92)73(105)83-52(35-42(2)3)67(99)82-54(39-60(78)95)69(101)85-55(75(107)108)37-47-25-18-17-19-26-47/h17-19,22-23,25-28,40,42-46,51-58,63-65,79,91-93H,9-16,20-21,24,29-39,41H2,1-8H3,(H2,77,94)(H2,78,95)(H,80,96)(H,81,103)(H,82,99)(H,83,105)(H,84,106)(H,85,101)(H,86,100)(H,87,98)(H,88,102)(H,89,104)(H,107,108)(H,109,110)/t44-,45+,46+,51-,52-,53-,54-,55-,56-,57-,58-,63-,64-,65-/m0/s1

InChIKey

BYPQPKQCVRGNOF-GQEJARASSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[13-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-13-oxotridecanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 471165