(2S)-1-[(2S)-1-[(2S)-2-[[(E,2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pent-4-enoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonyl-N-[2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-[[(2S)-3-oxidanyl-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]amino]ethyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-1-[(2S)-2-[[(E,2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pent-4-enoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonyl-N-[2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-[[(2S)-3-oxidanyl-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]amino]ethyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-1-[(2S)-2-[[(E,2S)-2-amino-5-guanidino-pent-4-enoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(1S)-1-benzyl-2-[[(1S)-2-[(2S)-2-[[(1S)-1-benzyl-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[(2S)-1-[(2S)-2-[[(E,2S)-2-amino-5-(diaminomethylideneamino)-1-oxopent-4-enyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-N-[2-[[(2S)-1-[[(2S)-3-hydroxy-1-oxo-1-[(2S)-2-[oxo-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]methyl]-1-pyrrolidinyl]propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-1-[(2S)-2-[[(E,2S)-2-amino-5-(diaminomethylideneamino)pent-4-enoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2S)-1-[[(2S)-3-hydroxy-1-oxo-1-[(2S)-2-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-1-[(2S)-2-[[(E,2S)-2-amino-5-guanidino-pent-4-enoyl]amino]-5-guanidino-pentanoyl]prolyl]-N-[2-[[(1S)-1-benzyl-2-[[(1S)-2-[(2S)-2-[[(1S)-1-benzyl-2-keto-ethyl]carbamoyl]pyrrolidino]-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C50H71N15O10 MolecularWeight: 1042.19324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CC=CN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C=O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C/C=C/N=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C=O

InChI

InChI=1S/C50H71N15O10/c51-34(16-7-21-56-49(52)53)42(69)61-35(17-8-22-57-50(54)55)46(73)65-25-11-20-40(65)48(75)64-24-9-18-38(64)44(71)58-28-41(68)60-36(27-32-14-5-2-6-15-32)43(70)62-37(30-67)47(74)63-23-10-19-39(63)45(72)59-33(29-66)26-31-12-3-1-4-13-31/h1-7,12-15,21,29,33-40,67H,8-11,16-20,22-28,30,51H2,(H,58,71)(H,59,72)(H,60,68)(H,61,69)(H,62,70)(H4,52,53,56)(H4,54,55,57)/b21-7+/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1