(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-hydroxy-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]-5-keto-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]proline Formula: C38H65N13O15 MolecularWeight: 944.0008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)N)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)N)C(=O)O

InChI

InChI=1S/C38H65N13O15/c39-13-3-1-6-19(41)31(58)48-23(16-28(43)54)35(62)49-24(17-29(44)55)34(61)46-21(9-11-27(42)53)33(60)45-20(7-2-4-14-40)32(59)50-25(18-52)36(63)47-22(10-12-30(56)57)37(64)51-15-5-8-26(51)38(65)66/h19-26,52H,1-18,39-41H2,(H2,42,53)(H2,43,54)(H2,44,55)(H,45,60)(H,46,61)(H,47,63)(H,48,58)(H,49,62)(H,50,59)(H,56,57)(H,65,66)/t19-,20-,21-,22-,23-,24-,25-,26-/m0/s1