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

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-valeric acid Formula: C56H85N11O17 MolecularWeight: 1184.3376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C(C)C)C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](C(C)C)C(=O)O)N

InChI

InChI=1S/C56H85N11O17/c1-10-30(8)45(58)55(82)65-41(25-43(57)71)52(79)62-37(21-27(2)3)50(77)60-36(19-20-44(72)73)48(75)61-38(22-28(4)5)51(78)63-39(23-32-11-15-34(69)16-12-32)49(76)59-31(9)47(74)66-42(26-68)54(81)64-40(24-33-13-17-35(70)18-14-33)53(80)67-46(29(6)7)56(83)84/h11-18,27-31,36-42,45-46,68-70H,10,19-26,58H2,1-9H3,(H2,57,71)(H,59,76)(H,60,77)(H,61,75)(H,62,79)(H,63,78)(H,64,81)(H,65,82)(H,66,74)(H,67,80)(H,72,73)(H,83,84)/t30-,31-,36-,37-,38-,39-,40-,41-,42-,45-,46-/m0/s1