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[(5S)-6-azanyl-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]amino]-6-oxidanylidene-hexyl]azanium

[(5S)-6-azanyl-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]amino]-6-oxidanylidene-hexyl]azanium

Systemtic Name:[(5S)-6-azanyl-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]amino]-6-oxidanylidene-hexyl]azanium
Openeye Name:[(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoyl]amino]-6-oxo-hexyl]ammonium
CAS Name:[(5S)-6-amino-5-[[(2R)-2-[[[(2S)-1-[[(2S)-1-[2-[[(2S)-5-amino-2-[[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-mercapto-1-oxopropyl]amino]-6-oxohexyl]ammonium
IUPAC Name:[(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium
Traditional Name:[(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]-5-keto-pentanoyl]amino]acetyl]prolyl]prolyl]amino]-3-mercapto-propanoyl]amino]-6-keto-hexyl]ammonium
Formula: C37H60N13O9S+
MolecularWeight: 863.019
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CC3=CN=CN3)N)C(=O)N4CCCC4C(=O)NC(CS)C(=O)NC(CCCC[NH3+])C(=O)N


Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CN=CN3)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N


InChI

InChI=1S/C37H59N13O9S/c38-12-2-1-6-23(31(41)53)45-33(55)25(19-60)47-35(57)27-8-4-15-50(27)37(59)28-9-5-13-48(28)30(52)18-43-32(54)24(10-11-29(40)51)46-34(56)26-7-3-14-49(26)36(58)22(39)16-21-17-42-20-44-21/h17,20,22-28,60H,1-16,18-19,38-39H2,(H2,40,51)(H2,41,53)(H,42,44)(H,43,54)(H,45,55)(H,46,56)(H,47,57)/p+1/t22-,23-,24-,25-,26-,27-,28-/m0/s1


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