3-[6-[[(2S)-2-[6-[[(2S)-2-[[(2S)-2-[6-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoylamino]propanoic acid

Systemtic Name: 3-[6-[[(2S)-2-[6-[[(2S)-2-[[(2S)-2-[6-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoylamino]propanoic acid Openeye Name: 3-[6-[[(2S)-2-[6-[[(2S)-2-[[(2S)-2-[6-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]hexanoylamino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoylamino]-5-guanidino-pentanoyl]amino]hexanoylamino]propanoic acid CAS Name: 3-[[6-[[(2S)-2-[[6-[[(2S)-2-[[(2S)-2-[[6-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]propanoic acid IUPAC Name: 3-[6-[[(2S)-2-[6-[[(2S)-2-[[(2S)-2-[6-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoylamino]propanoic acid Traditional Name: 3-[6-[[(2S)-2-[6-[[(2S)-2-[[(2S)-2-[6-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]hexanoylamino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoylamino]-5-guanidino-pentanoyl]amino]hexanoylamino]propionic acid Formula: C45H88N20O9 MolecularWeight: 1053.30882

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NCCCCCC(=O)NC(CCCN=C(N)N)C(=O)NCCCCCC(=O)NCCC(=O)O)CCNC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C(CCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCCCCC(=O)NCCC(=O)O)CCNC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C45H88N20O9/c46-30(14-10-25-59-42(47)48)38(71)56-22-7-2-5-20-36(68)64-33(17-13-28-62-45(53)54)41(74)65-32(16-12-27-61-44(51)52)40(73)58-24-9-3-6-19-35(67)63-31(15-11-26-60-43(49)50)39(72)57-23-8-1-4-18-34(66)55-29-21-37(69)70/h30-33H,1-29,46H2,(H,55,66)(H,56,71)(H,57,72)(H,58,73)(H,63,67)(H,64,68)(H,65,74)(H,69,70)(H4,47,48,59)(H4,49,50,60)(H4,51,52,61)(H4,53,54,62)/t30-,31-,32-,33-/m0/s1