38280-53-4

Structural Information

Molecular Formula

C₅₀H₇₀N₁₆O₁₁

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)N

InChI

InChI=1S/C50H70N16O11/c1-27(2)17-36(45(73)62-35(9-5-15-56-50(53)54)49(77)66-16-6-10-40(66)48(76)58-23-41(52)69)61-42(70)24-59-44(72)37(18-28-11-13-31(68)14-12-28)64-47(75)39(25-67)65-46(74)38(19-29-21-57-34-8-4-3-7-32(29)34)63-43(71)33(51)20-30-22-55-26-60-30/h3-4,7-8,11-14,21-22,26-27,33,35-40,57,67-68H,5-6,9-10,15-20,23-25,51H2,1-2H3,(H2,52,69)(H,55,60)(H,58,76)(H,59,72)(H,61,70)(H,62,73)(H,63,71)(H,64,75)(H,65,74)(H4,53,54,56)/t33-,35-,36-,37-,38-,39-,40-/m0/s1

InChIKey

XJFYTQZGHCJQNE-YJXWTMGESA-N

Compound name

(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide

Related CIDs

• CID 3081480