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

Systemtic Name: (3S)-4-[[(2S,3S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-[[(1S,2S)-1-[[(1S)-4-guanidino-1-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S,3S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-[[(2S,3S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S,3S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-3-methyl-butanoyl]prolyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-4-[[(1S,2S)-1-[[(1S)-4-guanidino-1-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]butyl]carbamoyl]-2-methyl-butyl]amino]-4-keto-butyric acid Formula: C48H77N13O15 MolecularWeight: 1076.20308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C48H77N13O15/c1-7-24(5)37(44(72)54-29(11-9-17-53-48(51)52)40(68)56-31(47(75)76)19-26-13-15-27(63)16-14-26)59-41(69)30(21-35(65)66)55-45(73)38(25(6)8-2)60-42(70)32(22-62)57-43(71)33-12-10-18-61(33)46(74)36(23(3)4)58-39(67)28(49)20-34(50)64/h13-16,23-25,28-33,36-38,62-63H,7-12,17-22,49H2,1-6H3,(H2,50,64)(H,54,72)(H,55,73)(H,56,68)(H,57,71)(H,58,67)(H,59,69)(H,60,70)(H,65,66)(H,75,76)(H4,51,52,53)/t24-,25-,28-,29-,30-,31-,32-,33-,36-,37-,38-/m0/s1