(2S)-2-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-5-guanidino-valeric acid Formula: C45H85N27O14 MolecularWeight: 1228.3289

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O)N)CN=C(N)N

Isomeric SMILES

C(C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C45H85N27O14/c46-23(6-1-11-57-41(47)48)35(80)64-16-29(74)63-19-32(77)71-28(22-73)38(83)65-17-30(75)62-18-31(76)69-26(9-4-14-60-44(53)54)39(84)72-25(8-3-13-59-43(51)52)37(82)67-20-33(78)68-24(7-2-12-58-42(49)50)36(81)66-21-34(79)70-27(40(85)86)10-5-15-61-45(55)56/h23-28,73H,1-22,46H2,(H,62,75)(H,63,74)(H,64,80)(H,65,83)(H,66,81)(H,67,82)(H,68,78)(H,69,76)(H,70,79)(H,71,77)(H,72,84)(H,85,86)(H4,47,48,57)(H4,49,50,58)(H4,51,52,59)(H4,53,54,60)(H4,55,56,61)/t23-,24-,25-,26-,27-,28-/m0/s1