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

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]hexanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-1-oxohexyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]hexanoyl]amino]hexanoic acid Formula: C47H94N20O10 MolecularWeight: 1099.37726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H94N20O10/c48-22-6-1-13-29(53)38(69)61-30(14-2-7-23-49)39(70)64-34(19-12-28-60-47(57)58)42(73)65-33(18-11-27-59-46(55)56)41(72)62-31(15-3-8-24-50)40(71)66-35(20-21-37(54)68)44(75)63-32(16-4-9-25-51)43(74)67-36(45(76)77)17-5-10-26-52/h29-36H,1-28,48-53H2,(H2,54,68)(H,61,69)(H,62,72)(H,63,75)(H,64,70)(H,65,73)(H,66,71)(H,67,74)(H,76,77)(H4,55,56,59)(H4,57,58,60)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1