Nh2-e-d-v-v-abu-c-p-abu-s-y-oh

Structural Information

Molecular Formula

C₄₇H₇₂N₁₀O₁₇S

SMILES

CCC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=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/C47H72N10O17S/c1-7-27(39(65)53-31(20-58)42(68)52-30(47(73)74)18-24-11-13-25(59)14-12-24)49-43(69)33-10-9-17-57(33)46(72)32(21-75)54-40(66)28(8-2)50-44(70)36(22(3)4)56-45(71)37(23(5)6)55-41(67)29(19-35(62)63)51-38(64)26(48)15-16-34(60)61/h11-14,22-23,26-33,36-37,58-59,75H,7-10,15-21,48H2,1-6H3,(H,49,69)(H,50,70)(H,51,64)(H,52,68)(H,53,65)(H,54,66)(H,55,67)(H,56,71)(H,60,61)(H,62,63)(H,73,74)/t26-,27?,28?,29-,30-,31-,32-,33-,36-,37-/m0/s1

InChIKey

PQFRJCBNOGZIBR-FVMLLMOCSA-N

Compound name

(4S)-4-amino-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[1-[[(2R)-1-[(2S)-2-[[1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-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 492190