H-e-d-v-v-abu-c-tic-abu-s-y-oh

Structural Information

Molecular Formula

C₅₂H₇₄N₁₀O₁₇S

SMILES

CCC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C2CC3=CC=CC=C3CN2C(=O)[C@H](CS)NC(=O)C(CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C52H74N10O17S/c1-7-32(44(70)58-36(23-63)47(73)57-35(52(78)79)19-27-13-15-30(64)16-14-27)54-48(74)38-20-28-11-9-10-12-29(28)22-62(38)51(77)37(24-80)59-45(71)33(8-2)55-49(75)41(25(3)4)61-50(76)42(26(5)6)60-46(72)34(21-40(67)68)56-43(69)31(53)17-18-39(65)66/h9-16,25-26,31-38,41-42,63-64,80H,7-8,17-24,53H2,1-6H3,(H,54,74)(H,55,75)(H,56,69)(H,57,73)(H,58,70)(H,59,71)(H,60,72)(H,61,76)(H,65,66)(H,67,68)(H,78,79)/t31-,32?,33?,34-,35-,36-,37-,38?,41-,42-/m0/s1

InChIKey

LYBWANSCSPOFFN-GIQZFKSBSA-N

Compound name

(4S)-4-amino-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[1-[[(2R)-1-[3-[[1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 492192