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

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S,3R)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]hexanoic acid Formula: C45H89N17O11 MolecularWeight: 1044.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H89N17O11/c1-27(63)36(62-37(65)28(51)13-2-7-21-46)43(71)60-31(16-5-10-24-49)39(67)56-29(14-3-8-22-47)38(66)59-33(19-20-35(52)64)42(70)58-32(18-12-26-55-45(53)54)40(68)57-30(15-4-9-23-48)41(69)61-34(44(72)73)17-6-11-25-50/h27-34,36,63H,2-26,46-51H2,1H3,(H2,52,64)(H,56,67)(H,57,68)(H,58,70)(H,59,66)(H,60,71)(H,61,69)(H,62,65)(H,72,73)(H4,53,54,55)/t27-,28+,29+,30+,31+,32+,33+,34+,36+/m1/s1