4-[[2-[[2-[[2-[2-[[1-(2-azanyl-4-methyl-pentanoyl)pyrrolidin-2-yl]carbonylamino]propanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[[1-[[1-[[1-[[2-[[1-[[1-[[1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-p

Systemtic Name: 4-[[2-[[2-[[2-[2-[[1-(2-azanyl-4-methyl-pentanoyl)pyrrolidin-2-yl]carbonylamino]propanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[[1-[[1-[[1-[[2-[[1-[[1-[[1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-p Openeye Name: 4-[[2-[[2-[[2-[2-[[1-(2-amino-4-methyl-pentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-[[3-hydroxy-1-[[2-[[2-[[2-[[2-[[1-[[2-hydroxy-1-[[2-[[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-5 CAS Name: 4-[[2-[[2-[[2-[[2-[[[1-(2-amino-4-methyl-1-oxopentyl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-[[1-[[1-[[1-[[2-[[1-[[1-[[1-[[1-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2- IUPAC Name: 4-[[2-[[2-[[2-[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[1-[[1-[[1-[[2-[[1-[[1-[[1-[[1-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxopentano Traditional Name: 4-[[2-[[2-[[2-[2-[[1-(2-amino-4-methyl-pentanoyl)prolyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-[[3-hydroxy-1-[[2-[[2-[[2-[[1-(4-hydroxybenzyl)-2-[[1-[[2-hydroxy-1-[[2-[(2-hydroxy-2-keto-1-methylol-ethyl)amino]-2-keto-1-methylol-ethyl]carbamoyl]propyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-keto-propyl]amino]-5-keto-valeric acid Formula: C74H112N16O27 MolecularWeight: 1657.77208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)NC(=O)C3CCCN3C(=O)C(CC(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)NC(=O)C3CCCN3C(=O)C(CC(C)C)N

InChI

InChI=1S/C74H112N16O27/c1-10-37(6)58(88-67(109)48(27-41-15-12-11-13-16-41)81-60(102)39(8)78-70(112)54-17-14-24-90(54)73(115)44(75)25-35(2)3)71(113)85-51(32-92)68(110)80-45(22-23-56(98)99)63(105)83-49(29-57(100)101)64(106)77-38(7)61(103)84-50(31-91)62(104)76-30-55(97)79-47(28-42-18-20-43(96)21-19-42)65(107)82-46(26-36(4)5)66(108)89-59(40(9)95)72(114)86-52(33-93)69(111)87-53(34-94)74(116)117/h11-13,15-16,18-21,35-40,44-54,58-59,91-96H,10,14,17,22-34,75H2,1-9H3,(H,76,104)(H,77,106)(H,78,112)(H,79,97)(H,80,110)(H,81,102)(H,82,107)(H,83,105)(H,84,103)(H,85,113)(H,86,114)(H,87,111)(H,88,109)(H,89,108)(H,98,99)(H,100,101)(H,116,117)