2-[[2-[[2-[[2-[[2-[[2-[[4-azanyl-2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-azanyl-2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-keto-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C58H94N16O13 MolecularWeight: 1223.46636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H94N16O13/c1-9-32(7)46(54(84)71-41(26-31(5)6)51(81)67-39(13-11-23-65-57(61)62)49(79)72-44(56(86)87)28-35-17-21-37(76)22-18-35)74-55(85)47(33(8)10-2)73-50(80)40(14-12-24-66-58(63)64)68-53(83)43(29-45(60)77)70-52(82)42(27-34-15-19-36(75)20-16-34)69-48(78)38(59)25-30(3)4/h15-22,30-33,38-44,46-47,75-76H,9-14,23-29,59H2,1-8H3,(H2,60,77)(H,67,81)(H,68,83)(H,69,78)(H,70,82)(H,71,84)(H,72,79)(H,73,80)(H,74,85)(H,86,87)(H4,61,62,65)(H4,63,64,66)