(3S)-4-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-[[(2S)-4-methyl-2-[[(2S,3R)-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]butanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-[[(2S)-4-methyl-2-[[(2S,3R)-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]butanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-1-[[(1S)-4-guanidino-1-[[(1S)-2-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]-3-methyl-butyl]amino]-3-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]butyl]amino]-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-1-[[(1S)-4-guanidino-1-[[(1S)-1-(4-hydroxybenzyl)-2-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]carbamoyl]butyl]carbamoyl]-3-methyl-butyl]amino]-3-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S)-prolyl]amino]butanoyl]amino]butanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butyric acid Formula: C48H78N12O15 MolecularWeight: 1063.20432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C2CCCN2

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2)O

InChI

InChI=1S/C48H78N12O15/c1-23(2)18-31(41(68)53-30(11-9-17-52-48(49)50)40(67)55-33(20-27-12-14-28(63)15-13-27)43(70)58-35(22-61)47(74)75)54-44(71)34(21-36(64)65)56-42(69)32(19-24(3)4)57-46(73)38(26(7)62)60-45(72)37(25(5)6)59-39(66)29-10-8-16-51-29/h12-15,23-26,29-35,37-38,51,61-63H,8-11,16-22H2,1-7H3,(H,53,68)(H,54,71)(H,55,67)(H,56,69)(H,57,73)(H,58,70)(H,59,66)(H,60,72)(H,64,65)(H,74,75)(H4,49,50,52)/t26-,29+,30+,31+,32+,33+,34+,35+,37+,38+/m1/s1