4-azanyl-5-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pent

Systemtic Name: 4-azanyl-5-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pent Openeye Name: 4-amino-5-[[1-[[1-[[1-[[2-[[2-[[2-[[1-[[1-[(2-amino-1-benzyl-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[1-[[1-[[1-[[2-[[2-[[2-[[1-[[1-[(2-amino-1-benzyl-2-keto-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-5-keto-valeric acid Formula: C58H86N16O15 MolecularWeight: 1247.40164

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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=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CC3=CN=CN3)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CC3=CN=CN3)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C58H86N16O15/c1-30(2)22-39(51(83)66-37(18-13-21-64-58(61)62)50(82)67-38(48(60)80)23-33-14-9-7-10-15-33)69-52(84)40(24-34-16-11-8-12-17-34)70-55(87)43(28-75)72-53(85)41(25-35-27-63-29-65-35)71-56(88)46(31(3)4)74-57(89)47(32(5)6)73-54(86)42(26-45(78)79)68-49(81)36(59)19-20-44(76)77/h7-12,14-17,27,29-32,36-43,46-47,75H,13,18-26,28,59H2,1-6H3,(H2,60,80)(H,63,65)(H,66,83)(H,67,82)(H,68,81)(H,69,84)(H,70,87)(H,71,88)(H,72,85)(H,73,86)(H,74,89)(H,76,77)(H,78,79)(H4,61,62,64)