(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-oxo-butanoyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butyric acid Formula: C46H76N16O13 MolecularWeight: 1061.19504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C46H76N16O13/c1-22(2)35(43(72)55-24(5)37(66)58-30(20-33(50)64)42(71)60-31(45(74)75)21-34(51)65)61-40(69)28(15-11-17-54-46(52)53)57-44(73)36(23(3)4)62-39(68)27(14-9-10-16-47)56-41(70)29(18-25-12-7-6-8-13-25)59-38(67)26(48)19-32(49)63/h6-8,12-13,22-24,26-31,35-36H,9-11,14-21,47-48H2,1-5H3,(H2,49,63)(H2,50,64)(H2,51,65)(H,55,72)(H,56,70)(H,57,73)(H,58,66)(H,59,67)(H,60,71)(H,61,69)(H,62,68)(H,74,75)(H4,52,53,54)/t24-,26-,27-,28-,29-,30-,31-,35-,36-/m0/s1