(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-3-mercapto-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-mercapto-propanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]propionic acid Formula: C27H51N11O8S MolecularWeight: 689.82774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H51N11O8S/c1-13(29)20(39)33-15(3)22(41)36-17(8-5-6-10-28)24(43)38-19(12-47)25(44)37-18(9-7-11-32-27(30)31)23(42)34-14(2)21(40)35-16(4)26(45)46/h13-19,47H,5-12,28-29H2,1-4H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,44)(H,38,43)(H,45,46)(H4,30,31,32)/t13-,14-,15-,16-,17-,18-,19-/m0/s1