(4S)-4-azanyl-5-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[(2S)-2-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-[(2S)-2-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[(2S)-2-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C47H73N9O15 MolecularWeight: 1004.13382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C47H73N9O15/c1-23(2)18-30(52-43(66)32(20-27-11-13-28(57)14-12-27)51-40(63)29(48)15-16-36(59)60)41(64)49-22-35(58)50-31(19-24(3)4)42(65)53-33(21-37(61)62)44(67)54-38(25(5)6)46(69)56-17-9-10-34(56)45(68)55-39(26(7)8)47(70)71/h11-14,23-26,29-34,38-39,57H,9-10,15-22,48H2,1-8H3,(H,49,64)(H,50,58)(H,51,63)(H,52,66)(H,53,65)(H,54,67)(H,55,68)(H,59,60)(H,61,62)(H,70,71)/t29-,30-,31-,32-,33-,34-,38-,39-/m0/s1