Nh2-d-v-v-l-c-tic-nle-s-y-oh

Structural Information

Molecular Formula

C₅₁H₇₅N₉O₁₄S

SMILES

CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C51H75N9O14S/c1-8-9-14-34(44(66)56-37(24-61)46(68)55-36(51(73)74)20-29-15-17-32(62)18-16-29)53-47(69)39-21-30-12-10-11-13-31(30)23-60(39)50(72)38(25-75)57-45(67)35(19-26(2)3)54-48(70)41(27(4)5)59-49(71)42(28(6)7)58-43(65)33(52)22-40(63)64/h10-13,15-18,26-28,33-39,41-42,61-62,75H,8-9,14,19-25,52H2,1-7H3,(H,53,69)(H,54,70)(H,55,68)(H,56,66)(H,57,67)(H,58,65)(H,59,71)(H,63,64)(H,73,74)/t33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1

InChIKey

WRDNPBSHRZLDRV-JOLGGYMFSA-N

Compound name

(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[(3S)-3-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 492363