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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]propanoyl]amino]-6-azanyl-hexanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]butanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]propanoyl]amino]-6-amino-hexanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]butanoyl]amino]-5-amino-5-oxo-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-6-amino-1-oxohexyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxobutyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanoyl]amino]-5-amino-5-oxopentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]propanoyl]amino]-6-amino-hexanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]butanoyl]amino]-5-amino-5-keto-valeric acid Formula: C40H71N13O14 MolecularWeight: 958.07044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H71N13O14/c1-6-23(33(60)52-27(39(66)67)12-14-30(42)56)48-34(61)25(11-9-17-45-40(43)44)50-37(64)28(18-20(2)3)53-36(63)26(13-15-31(57)58)51-35(62)24(10-7-8-16-41)49-32(59)21(4)46-38(65)29(19-54)47-22(5)55/h20-21,23-29,54H,6-19,41H2,1-5H3,(H2,42,56)(H,46,65)(H,47,55)(H,48,61)(H,49,59)(H,50,64)(H,51,62)(H,52,60)(H,53,63)(H,57,58)(H,66,67)(H4,43,44,45)/t21-,23-,24-,25-,26-,27-,28-,29-/m0/s1