[4-(n-methoxalyl-l-prolyl-d-phenylalanyl-.beta.-alaninamido)phenoxy]acetyl-l-asparagyl-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyryl]-n-tert-butyl-l-proline amide

Structural Information

Molecular Formula

C₅₁H₆₅N₉O₁₃

SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CCC[C@H]3C(=O)NC(C)(C)C)O)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCCN5C(=O)C(=O)OC

InChI

InChI=1S/C51H65N9O13/c1-30(53-44(65)36(27-32-16-10-7-11-17-32)57-46(67)38-18-12-25-60(38)49(70)50(71)72-5)43(64)54-33-20-22-34(23-21-33)73-29-41(62)55-37(28-40(52)61)45(66)56-35(26-31-14-8-6-9-15-31)42(63)48(69)59-24-13-19-39(59)47(68)58-51(2,3)4/h6-11,14-17,20-23,30,35-39,42,63H,12-13,18-19,24-29H2,1-5H3,(H2,52,61)(H,53,65)(H,54,64)(H,55,62)(H,56,66)(H,57,67)(H,58,68)/t30-,35+,36-,37+,38+,39+,42+/m1/s1

InChIKey

MUDRBPRJCSVZJK-PYVSXVHGSA-N

Compound name

methyl 2-[(2S)-2-[[(2R)-1-[[(2R)-1-[4-[2-[[(2S)-4-amino-1-[[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]anilino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoacetate

Related CIDs

• CID 5481460