4-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[[1-[[1-[[5-[bis(azanyl)methylideneamino]-1-[[1-[[1-[[1-[[5-[bis(azanyl)methylideneamino]-1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-y

Systemtic Name: 4-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[[1-[[1-[[5-[bis(azanyl)methylideneamino]-1-[[1-[[1-[[1-[[5-[bis(azanyl)methylideneamino]-1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-y Openeye Name: 4-[(2-amino-5-guanidino-pentanoyl)amino]-5-[[1-[[1-[[4-guanidino-1-[[1-[[1-[[1-[[4-guanidino-1-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-[[1-[[1-[[5-(diaminomethylideneamino)-1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[1-[[1-[[5-(diaminomethylideneamino)-1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[(2-amino-5-guanidino-pentanoyl)amino]-5-[[1-[[1-[[4-guanidino-1-[[1-[[1-[[1-[[4-guanidino-1-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-5-keto-valeric acid Formula: C58H99N19O17 MolecularWeight: 1334.52376

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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)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

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

InChI

InChI=1S/C58H99N19O17/c1-28(2)23-38(50(88)70-35(12-9-21-67-57(62)63)47(85)76-42(55(93)94)26-32-14-16-33(79)17-15-32)72-52(90)40(25-30(5)6)75-54(92)45(31(7)78)77-49(87)36(13-10-22-68-58(64)65)71-51(89)39(24-29(3)4)73-53(91)41(27-44(82)83)74-48(86)37(18-19-43(80)81)69-46(84)34(59)11-8-20-66-56(60)61/h14-17,28-31,34-42,45,78-79H,8-13,18-27,59H2,1-7H3,(H,69,84)(H,70,88)(H,71,89)(H,72,90)(H,73,91)(H,74,86)(H,75,92)(H,76,85)(H,77,87)(H,80,81)(H,82,83)(H,93,94)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)