Chembl373670

Structural Information

Molecular Formula

C₇₁H₁₀₇N₁₇O₁₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C71H107N17O14/c1-12-40(8)59(70(102)87-52(29-37(2)3)64(96)79-41(9)61(93)78-36-57(91)81-50(23-18-28-76-71(74)75)63(95)82-51(60(73)92)34-46-35-77-49-22-17-16-21-48(46)49)88-68(100)54(31-39(6)7)85-65(97)53(30-38(4)5)84-67(99)56(32-44-19-14-13-15-20-44)86-66(98)55(33-45-24-26-47(90)27-25-45)83-62(94)42(10)80-69(101)58(72)43(11)89/h13-17,19-22,24-27,35,37-43,50-56,58-59,77,89-90H,12,18,23,28-34,36,72H2,1-11H3,(H2,73,92)(H,78,93)(H,79,96)(H,80,101)(H,81,91)(H,82,95)(H,83,94)(H,84,99)(H,85,97)(H,86,98)(H,87,102)(H,88,100)(H4,74,75,76)/t40-,41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1

InChIKey

GZPCXORPSHPIAM-LQBKVEROSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methylpentanamide

Related CIDs

• CID 25081108