Nh2-e-d-v-v-abu-hf-s-abu-s-y-oh

Structural Information

Molecular Formula

C₅₂H₇₆N₁₀O₁₈

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](CO)NC(=O)[C@H](CCC2=CC=CC=C2)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/C52H76N10O18/c1-7-32(45(72)59-38(25-64)49(76)58-36(52(79)80)22-29-14-17-30(65)18-15-29)54-48(75)37(24-63)60-46(73)34(20-16-28-12-10-9-11-13-28)56-44(71)33(8-2)55-50(77)41(26(3)4)62-51(78)42(27(5)6)61-47(74)35(23-40(68)69)57-43(70)31(53)19-21-39(66)67/h9-15,17-18,26-27,31-38,41-42,63-65H,7-8,16,19-25,53H2,1-6H3,(H,54,75)(H,55,77)(H,56,71)(H,57,70)(H,58,76)(H,59,72)(H,60,73)(H,61,74)(H,62,78)(H,66,67)(H,68,69)(H,79,80)/t31-,32?,33?,34-,35-,36-,37-,38-,41-,42-/m0/s1

InChIKey

NZAPCEYDAXXZPX-FQYATAIXSA-N

Compound name

(4S)-4-amino-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-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 492370