(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-hydroxy-butanoyl]proline Formula: C29H50N10O13 MolecularWeight: 746.7665

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CCCN=C(N)N)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)N)O

InChI

InChI=1S/C29H50N10O13/c1-13(41)21(37-19(43)11-34-24(47)17(12-40)36-23(46)15(30)5-3-9-33-29(31)32)26(49)35-16(7-8-20(44)45)25(48)38-22(14(2)42)27(50)39-10-4-6-18(39)28(51)52/h13-18,21-22,40-42H,3-12,30H2,1-2H3,(H,34,47)(H,35,49)(H,36,46)(H,37,43)(H,38,48)(H,44,45)(H,51,52)(H4,31,32,33)/t13-,14-,15+,16+,17+,18+,21+,22+/m1/s1