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

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoic acid Formula: C46H82N14O15 MolecularWeight: 1071.22808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H82N14O15/c1-8-24(6)36(60-41(70)28(14-16-33(62)63)54-37(66)25(7)53-38(67)26(48)20-22(2)3)44(73)56-29(15-17-34(64)65)40(69)59-35(23(4)5)43(72)58-31(21-32(49)61)42(71)55-27(13-11-19-52-46(50)51)39(68)57-30(45(74)75)12-9-10-18-47/h22-31,35-36H,8-21,47-48H2,1-7H3,(H2,49,61)(H,53,67)(H,54,66)(H,55,71)(H,56,73)(H,57,68)(H,58,72)(H,59,69)(H,60,70)(H,62,63)(H,64,65)(H,74,75)(H4,50,51,52)/t24-,25-,26-,27-,28-,29-,30-,31-,35-,36-/m0/s1