(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]-5-guanidino-valeric acid Formula: C27H42N8O7 MolecularWeight: 590.67178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C27H42N8O7/c1-15(28)22(37)33-19(14-17-8-4-3-5-9-17)23(38)34-21(16(2)36)25(40)35-13-7-11-20(35)24(39)32-18(26(41)42)10-6-12-31-27(29)30/h3-5,8-9,15-16,18-21,36H,6-7,10-14,28H2,1-2H3,(H,32,39)(H,33,37)(H,34,38)(H,41,42)(H4,29,30,31)/t15-,16+,18-,19-,20-,21-/m0/s1