(2S)-N-[(2S)-3-(4-hydroxyphenyl)-1-[(2S)-2-[(2S)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methylsulfinyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]-1-[(2R)-1-[(2S)-1-[2-(methylamino)ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-3-(4-hydroxyphenyl)-1-[(2S)-2-[(2S)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methylsulfinyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]-1-[(2R)-1-[(2S)-1-[2-(methylamino)ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-[(2S)-2-[(2S)-2-[[(1S)-1-[[(1S)-1-formyl-2-methyl-butyl]carbamoyl]-3-methylsulfinyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-1-[(2R)-1-[(2S)-1-[2-(methylamino)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-3-(4-hydroxyphenyl)-1-[(2S)-2-[[(2S)-2-[[[(2S)-1-[[(2S)-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfinyl-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]-1-[[(2R)-1-[[(2S)-1-[2-(methylamino)-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-3-(4-hydroxyphenyl)-1-[(2S)-2-[(2S)-2-[[(2S)-1-[[(2S)-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfinyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-1-[(2R)-1-[(2S)-1-[2-(methylamino)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-[(2S)-2-[(2S)-2-[[(1S)-1-[[(1S)-1-formyl-2-methyl-butyl]carbamoyl]-3-methylsulfinyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidino]-1-(4-hydroxybenzyl)-2-keto-ethyl]-1-[(2R)-1-[(2S)-1-sarcosylprolyl]prolyl]pyrrolidine-2-carboxamide Formula: C48H71N9O11S MolecularWeight: 982.19604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=O)NC(=O)C(CCS(=O)C)NC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4CCCN4C(=O)C5CCCN5C(=O)C6CCCN6C(=O)CNC

Isomeric SMILES

CCC(C)[C@@H](C=O)NC(=O)[C@H](CCS(=O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H]5CCCN5C(=O)[C@@H]6CCCN6C(=O)CNC

InChI

InChI=1S/C48H71N9O11S/c1-5-30(2)35(29-58)52-42(61)33(20-26-69(4)68)50-43(62)36-11-6-22-54(36)47(66)39-14-9-24-56(39)45(64)34(27-31-16-18-32(59)19-17-31)51-44(63)37-12-7-23-55(37)48(67)40-15-10-25-57(40)46(65)38-13-8-21-53(38)41(60)28-49-3/h16-19,29-30,33-40,49,59H,5-15,20-28H2,1-4H3,(H,50,62)(H,51,63)(H,52,61)/t30?,33-,34-,35+,36-,37-,38-,39-,40+,69?/m0/s1